2-hydroxy-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-one

C24H19F3N2O3 — CID 24959078

IUPAC2-hydroxy-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-one
SMILESCC(O)C(=O)c1ccccc1-c1ccc2nc(COc3ccc(C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C24H19F3N2O3/c1-14(30)23(31)19-5-3-2-4-18(19)15-6-11-20-21(12-15)29-22(28-20)13-32-17-9-7-16(8-10-17)24(25,26)27/h2-12,14,30H,13H2,1H3,(H,28,29)
InChIKeySDYORVLRLOTTNN-UHFFFAOYSA-N
MW440.42 g/mol
LogP5.39
Rot. Bonds6

About 2-hydroxy-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-one

2-hydroxy-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-one (PubChem CID 24959078) has the molecular formula C24H19F3N2O3 and a molecular weight of 440.42 g/mol. Its IUPAC name is 2-hydroxy-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-one
PubChem CID24959078
Molecular FormulaC24H19F3N2O3
Molecular Weight440.42 g/mol
Exact Mass440.13
IUPAC Name2-hydroxy-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-one
SMILESCC(O)C(=O)c1ccccc1-c1ccc2nc(COc3ccc(C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C24H19F3N2O3/c1-14(30)23(31)19-5-3-2-4-18(19)15-6-11-20-21(12-15)29-22(28-20)13-32-17-9-7-16(8-10-17)24(25,26)27/h2-12,14,30H,13H2,1H3,(H,28,29)
InChIKeySDYORVLRLOTTNN-UHFFFAOYSA-N
XLogP5.39
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.42
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-one?
The IUPAC name of 2-hydroxy-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-one (CID 24959078) is 2-hydroxy-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-one.
What is the SMILES notation for 2-hydroxy-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-one?
The canonical SMILES for 2-hydroxy-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-one is CC(O)C(=O)c1ccccc1-c1ccc2nc(COc3ccc(C(F)(F)F)cc3)[nH]c2c1.
What is the InChIKey of 2-hydroxy-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-one?
The InChIKey is SDYORVLRLOTTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O3/c1-14(30)23(31)19-5-3-2-4-18(19)15-6-11-20-21(12-15)29-22(28-20)13-32-17-9-7-16(8-10-17)24(25,26)27/h2-12,14,30H,13H2,1H3,(H,28,29).
What are the key properties of 2-hydroxy-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-one?
2-hydroxy-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-one has a molecular weight of 440.42 g/mol, XLogP of 5.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]propan-1-one is sourced from PubChem (CID 24959078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).